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1000341-38-7

1000341-38-7 | Benzoic acid, 3-(1,1-dimethylethyl)-5-fluoro-

CAS No: 1000341-38-7 Catalog No: AG0000GP MDL No:

Product Description

Catalog Number:
AG0000GP
Chemical Name:
Benzoic acid, 3-(1,1-dimethylethyl)-5-fluoro-
CAS Number:
1000341-38-7
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
3-tert-butyl-5-fluorobenzoic acid
InChI:
InChI=1S/C11H13FO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)
InChI Key:
COUUTLASTKWIMF-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(C)(C)C)C(=O)O

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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